General Information of the Compound
| Compound ID |
CP0485825
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| Compound Name |
(S)-N-methyl-1-(naphthalen-2-ylsulfonyl)-N-(1-(phenylsulfonyl)piperidin-4-yl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C27H31N3O5S2
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| Molecular Weight |
541.695
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| Canonical SMILES |
CN(C1CCN(CC1)S(=O)(=O)c1ccccc1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C27H31N3O5S2/c1-28(23-15-18-29(19-16-23)36(32,33)24-10-3-2-4-11-24)27(31)26-12-7-17-30(26)37(34,35)25-14-13-21-8-5-6-9-22(21)20-25/h2-6,8-11,13-14,20,23,26H,7,12,15-19H2,1H3/t26-/m0/s1
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| InChIKey |
XLDFIKMYFHRPJC-SANMLTNESA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound